4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine

C44H35N3 — CID 146369112

IUPAC4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3-c3ccccc3C43CCCCC3)cc2)cc1
InChIInChI=1S/C44H35N3/c1-4-15-31(16-5-1)32-25-27-34(28-26-32)47(43-45-39-23-11-9-20-36(39)42(46-43)33-17-6-2-7-18-33)40-24-14-22-38-41(40)35-19-8-10-21-37(35)44(38)29-12-3-13-30-44/h1-2,4-11,14-28H,3,12-13,29-30H2
InChIKeyUSBVKDNMVRBFIK-UHFFFAOYSA-N
MW605.79 g/mol
LogP11.66
Rot. Bonds5

About 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine

4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine (PubChem CID 146369112) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine
PubChem CID146369112
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3-c3ccccc3C43CCCCC3)cc2)cc1
InChIInChI=1S/C44H35N3/c1-4-15-31(16-5-1)32-25-27-34(28-26-32)47(43-45-39-23-11-9-20-36(39)42(46-43)33-17-6-2-7-18-33)40-24-14-22-38-41(40)35-19-8-10-21-37(35)44(38)29-12-3-13-30-44/h1-2,4-11,14-28H,3,12-13,29-30H2
InChIKeyUSBVKDNMVRBFIK-UHFFFAOYSA-N
XLogP11.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 170117213
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
CID 142427071
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114784
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine
CID 148573772
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 159086512
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
CID 146369062

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine (CID 146369112) is 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine is c1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3-c3ccccc3C43CCCCC3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine?
The InChIKey is USBVKDNMVRBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3/c1-4-15-31(16-5-1)32-25-27-34(28-26-32)47(43-45-39-23-11-9-20-36(39)42(46-43)33-17-6-2-7-18-33)40-24-14-22-38-41(40)35-19-8-10-21-37(35)44(38)29-12-3-13-30-44/h1-2,4-11,14-28H,3,12-13,29-30H2.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine?
4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine has a molecular weight of 605.79 g/mol, XLogP of 11.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-4'-ylquinazolin-2-amine is sourced from PubChem (CID 146369112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).